1-(5-isocyano-2-pyridinyl)-4-methylpentan-2-one;1-(6-isocyano-2-pyridinyl)-4-methylpentan-2-one;1-(2-methoxy-4-pyridinyl)-4-methylpentan-2-one;1-(3-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(3-methoxy-4-pyridinyl)-4-methylpentan-2-one;1-(4-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(5-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(6-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(6-methoxy-3-pyridinyl)-4-methylpentan-2-one;N-methyl-6-(4-methyl-2-oxopentyl)pyridine-2-carboxamide;2-(4-methyl-2-oxopentyl)pyridine-4-carbonitrile;N-[[6-(4-methyl-2-oxopentyl)-3-pyridinyl]methyl]formamide

C146H197N17O21 — CID 158752517

About 1-(5-isocyano-2-pyridinyl)-4-methylpentan-2-one;1-(6-isocyano-2-pyridinyl)-4-methylpentan-2-one;1-(2-methoxy-4-pyridinyl)-4-methylpentan-2-one;1-(3-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(3-methoxy-4-pyridinyl)-4-methylpentan-2-one;1-(4-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(5-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(6-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(6-methoxy-3-pyridinyl)-4-methylpentan-2-one;N-methyl-6-(4-methyl-2-oxopentyl)pyridine-2-carboxamide;2-(4-methyl-2-oxopentyl)pyridine-4-carbonitrile;N-[[6-(4-methyl-2-oxopentyl)-3-pyridinyl]methyl]formamide

1-(5-isocyano-2-pyridinyl)-4-methylpentan-2-one;1-(6-isocyano-2-pyridinyl)-4-methylpentan-2-one;1-(2-methoxy-4-pyridinyl)-4-methylpentan-2-one;1-(3-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(3-methoxy-4-pyridinyl)-4-methylpentan-2-one;1-(4-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(5-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(6-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(6-methoxy-3-pyridinyl)-4-methylpentan-2-one;N-methyl-6-(4-methyl-2-oxopentyl)pyridine-2-carboxamide;2-(4-methyl-2-oxopentyl)pyridine-4-carbonitrile;N-[[6-(4-methyl-2-oxopentyl)-3-pyridinyl]methyl]formamide (PubChem CID 158752517) has the molecular formula C146H197N17O21 and a molecular weight of 2526.28 g/mol. Its IUPAC name is 1-(5-isocyano-2-pyridinyl)-4-methylpentan-2-one;1-(6-isocyano-2-pyridinyl)-4-methylpentan-2-one;1-(2-methoxy-4-pyridinyl)-4-methylpentan-2-one;1-(3-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(3-methoxy-4-pyridinyl)-4-methylpentan-2-one;1-(4-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(5-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(6-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(6-methoxy-3-pyridinyl)-4-methylpentan-2-one;N-methyl-6-(4-methyl-2-oxopentyl)pyridine-2-carboxamide;2-(4-methyl-2-oxopentyl)pyridine-4-carbonitrile;N-[[6-(4-methyl-2-oxopentyl)-3-pyridinyl]methyl]formamide.

Molecular Properties

• Compound Name: 1-(5-isocyano-2-pyridinyl)-4-methylpentan-2-one;1-(6-isocyano-2-pyridinyl)-4-methylpentan-2-one;1-(2-methoxy-4-pyridinyl)-4-methylpentan-2-one;1-(3-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(3-methoxy-4-pyridinyl)-4-methylpentan-2-one;1-(4-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(5-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(6-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(6-methoxy-3-pyridinyl)-4-methylpentan-2-one;N-methyl-6-(4-methyl-2-oxopentyl)pyridine-2-carboxamide;2-(4-methyl-2-oxopentyl)pyridine-4-carbonitrile;N-[[6-(4-methyl-2-oxopentyl)-3-pyridinyl]methyl]formamide
• PubChem CID: 158752517
• Molecular Formula: C146H197N17O21
• Molecular Weight: 2526.28 g/mol
• Exact Mass: 2524.49
• IUPAC Name: 1-(5-isocyano-2-pyridinyl)-4-methylpentan-2-one;1-(6-isocyano-2-pyridinyl)-4-methylpentan-2-one;1-(2-methoxy-4-pyridinyl)-4-methylpentan-2-one;1-(3-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(3-methoxy-4-pyridinyl)-4-methylpentan-2-one;1-(4-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(5-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(6-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(6-methoxy-3-pyridinyl)-4-methylpentan-2-one;N-methyl-6-(4-methyl-2-oxopentyl)pyridine-2-carboxamide;2-(4-methyl-2-oxopentyl)pyridine-4-carbonitrile;N-[[6-(4-methyl-2-oxopentyl)-3-pyridinyl]methyl]formamide
• SMILES: CC(C)CC(=O)Cc1cc(C#N)ccn1.CC(C)CC(=O)Cc1ccc(CNC=O)cn1.CNC(=O)c1cccc(CC(=O)CC(C)C)n1.COc1cc(CC(=O)CC(C)C)ccn1.COc1ccc(CC(=O)CC(C)C)cn1.COc1ccc(CC(=O)CC(C)C)nc1.COc1cccc(CC(=O)CC(C)C)n1.COc1cccnc1CC(=O)CC(C)C.COc1ccnc(CC(=O)CC(C)C)c1.COc1cnccc1CC(=O)CC(C)C.[C-]#[N+]c1ccc(CC(=O)CC(C)C)nc1.[C-]#[N+]c1cccc(CC(=O)CC(C)C)n1
• InChI: InChI=1S/2C13H18N2O2.3C12H14N2O.7C12H17NO2/c1-9(2)7-11(16)8-10-5-4-6-12(15-10)13(17)14-3;1-10(2)5-13(17)6-12-4-3-11(8-15-12)7-14-9-16;1-9(2)6-12(15)7-10-4-5-11(13-3)8-14-10;1-9(2)7-11(15)8-10-5-4-6-12(13-3)14-10;1-9(2)5-12(15)7-11-6-10(8-13)3-4-14-11;1-9(2)6-11(14)7-10-8-12(15-3)4-5-13-10;1-9(2)6-11(14)7-10-4-5-13-8-12(10)15-3;1-9(2)6-11(14)7-10-4-5-12(15-3)8-13-10;1-9(2)6-11(14)7-10-4-5-13-12(8-10)15-3;1-9(2)6-11(14)7-10-4-5-12(15-3)13-8-10;1-9(2)7-10(14)8-11-12(15-3)5-4-6-13-11;1-9(2)7-11(14)8-10-5-4-6-12(13-10)15-3/h4-6,9H,7-8H2,1-3H3,(H,14,17);3-4,8-10H,5-7H2,1-2H3,(H,14,16);4-5,8-9H,6-7H2,1-2H3;4-6,9H,7-8H2,1-2H3;3-4,6,9H,5,7H2,1-2H3;5*4-5,8-9H,6-7H2,1-3H3;2*4-6,9H,7-8H2,1-3H3
• InChIKey: INQUGANHFAHBLU-UHFFFAOYSA-N
• XLogP: 26.51
• TPSA: 514.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 34
• Rotatable Bonds: 59
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2526.28
LogP ≤ 5	26.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(5-isocyano-2-pyridinyl)-4-methylpentan-2-one;1-(6-isocyano-2-pyridinyl)-4-methylpentan-2-one;1-(2-methoxy-4-pyridinyl)-4-methylpentan-2-one;1-(3-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(3-methoxy-4-pyridinyl)-4-methylpentan-2-one;1-(4-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(5-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(6-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(6-methoxy-3-pyridinyl)-4-methylpentan-2-one;N-methyl-6-(4-methyl-2-oxopentyl)pyridine-2-carboxamide;2-(4-methyl-2-oxopentyl)pyridine-4-carbonitrile;N-[[6-(4-methyl-2-oxopentyl)-3-pyridinyl]methyl]formamide?

The IUPAC name of 1-(5-isocyano-2-pyridinyl)-4-methylpentan-2-one;1-(6-isocyano-2-pyridinyl)-4-methylpentan-2-one;1-(2-methoxy-4-pyridinyl)-4-methylpentan-2-one;1-(3-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(3-methoxy-4-pyridinyl)-4-methylpentan-2-one;1-(4-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(5-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(6-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(6-methoxy-3-pyridinyl)-4-methylpentan-2-one;N-methyl-6-(4-methyl-2-oxopentyl)pyridine-2-carboxamide;2-(4-methyl-2-oxopentyl)pyridine-4-carbonitrile;N-[[6-(4-methyl-2-oxopentyl)-3-pyridinyl]methyl]formamide (CID 158752517) is 1-(5-isocyano-2-pyridinyl)-4-methylpentan-2-one;1-(6-isocyano-2-pyridinyl)-4-methylpentan-2-one;1-(2-methoxy-4-pyridinyl)-4-methylpentan-2-one;1-(3-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(3-methoxy-4-pyridinyl)-4-methylpentan-2-one;1-(4-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(5-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(6-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(6-methoxy-3-pyridinyl)-4-methylpentan-2-one;N-methyl-6-(4-methyl-2-oxopentyl)pyridine-2-carboxamide;2-(4-methyl-2-oxopentyl)pyridine-4-carbonitrile;N-[[6-(4-methyl-2-oxopentyl)-3-pyridinyl]methyl]formamide.

What is the SMILES notation for 1-(5-isocyano-2-pyridinyl)-4-methylpentan-2-one;1-(6-isocyano-2-pyridinyl)-4-methylpentan-2-one;1-(2-methoxy-4-pyridinyl)-4-methylpentan-2-one;1-(3-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(3-methoxy-4-pyridinyl)-4-methylpentan-2-one;1-(4-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(5-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(6-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(6-methoxy-3-pyridinyl)-4-methylpentan-2-one;N-methyl-6-(4-methyl-2-oxopentyl)pyridine-2-carboxamide;2-(4-methyl-2-oxopentyl)pyridine-4-carbonitrile;N-[[6-(4-methyl-2-oxopentyl)-3-pyridinyl]methyl]formamide?

The canonical SMILES for 1-(5-isocyano-2-pyridinyl)-4-methylpentan-2-one;1-(6-isocyano-2-pyridinyl)-4-methylpentan-2-one;1-(2-methoxy-4-pyridinyl)-4-methylpentan-2-one;1-(3-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(3-methoxy-4-pyridinyl)-4-methylpentan-2-one;1-(4-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(5-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(6-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(6-methoxy-3-pyridinyl)-4-methylpentan-2-one;N-methyl-6-(4-methyl-2-oxopentyl)pyridine-2-carboxamide;2-(4-methyl-2-oxopentyl)pyridine-4-carbonitrile;N-[[6-(4-methyl-2-oxopentyl)-3-pyridinyl]methyl]formamide is CC(C)CC(=O)Cc1cc(C#N)ccn1.CC(C)CC(=O)Cc1ccc(CNC=O)cn1.CNC(=O)c1cccc(CC(=O)CC(C)C)n1.COc1cc(CC(=O)CC(C)C)ccn1.COc1ccc(CC(=O)CC(C)C)cn1.COc1ccc(CC(=O)CC(C)C)nc1.COc1cccc(CC(=O)CC(C)C)n1.COc1cccnc1CC(=O)CC(C)C.COc1ccnc(CC(=O)CC(C)C)c1.COc1cnccc1CC(=O)CC(C)C.[C-]#[N+]c1ccc(CC(=O)CC(C)C)nc1.[C-]#[N+]c1cccc(CC(=O)CC(C)C)n1.

What is the InChIKey of 1-(5-isocyano-2-pyridinyl)-4-methylpentan-2-one;1-(6-isocyano-2-pyridinyl)-4-methylpentan-2-one;1-(2-methoxy-4-pyridinyl)-4-methylpentan-2-one;1-(3-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(3-methoxy-4-pyridinyl)-4-methylpentan-2-one;1-(4-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(5-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(6-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(6-methoxy-3-pyridinyl)-4-methylpentan-2-one;N-methyl-6-(4-methyl-2-oxopentyl)pyridine-2-carboxamide;2-(4-methyl-2-oxopentyl)pyridine-4-carbonitrile;N-[[6-(4-methyl-2-oxopentyl)-3-pyridinyl]methyl]formamide?

The InChIKey is INQUGANHFAHBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H18N2O2.3C12H14N2O.7C12H17NO2/c1-9(2)7-11(16)8-10-5-4-6-12(15-10)13(17)14-3;1-10(2)5-13(17)6-12-4-3-11(8-15-12)7-14-9-16;1-9(2)6-12(15)7-10-4-5-11(13-3)8-14-10;1-9(2)7-11(15)8-10-5-4-6-12(13-3)14-10;1-9(2)5-12(15)7-11-6-10(8-13)3-4-14-11;1-9(2)6-11(14)7-10-8-12(15-3)4-5-13-10;1-9(2)6-11(14)7-10-4-5-13-8-12(10)15-3;1-9(2)6-11(14)7-10-4-5-12(15-3)8-13-10;1-9(2)6-11(14)7-10-4-5-13-12(8-10)15-3;1-9(2)6-11(14)7-10-4-5-12(15-3)13-8-10;1-9(2)7-10(14)8-11-12(15-3)5-4-6-13-11;1-9(2)7-11(14)8-10-5-4-6-12(13-10)15-3/h4-6,9H,7-8H2,1-3H3,(H,14,17);3-4,8-10H,5-7H2,1-2H3,(H,14,16);4-5,8-9H,6-7H2,1-2H3;4-6,9H,7-8H2,1-2H3;3-4,6,9H,5,7H2,1-2H3;5*4-5,8-9H,6-7H2,1-3H3;2*4-6,9H,7-8H2,1-3H3.

What are the key properties of 1-(5-isocyano-2-pyridinyl)-4-methylpentan-2-one;1-(6-isocyano-2-pyridinyl)-4-methylpentan-2-one;1-(2-methoxy-4-pyridinyl)-4-methylpentan-2-one;1-(3-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(3-methoxy-4-pyridinyl)-4-methylpentan-2-one;1-(4-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(5-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(6-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(6-methoxy-3-pyridinyl)-4-methylpentan-2-one;N-methyl-6-(4-methyl-2-oxopentyl)pyridine-2-carboxamide;2-(4-methyl-2-oxopentyl)pyridine-4-carbonitrile;N-[[6-(4-methyl-2-oxopentyl)-3-pyridinyl]methyl]formamide?

1-(5-isocyano-2-pyridinyl)-4-methylpentan-2-one;1-(6-isocyano-2-pyridinyl)-4-methylpentan-2-one;1-(2-methoxy-4-pyridinyl)-4-methylpentan-2-one;1-(3-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(3-methoxy-4-pyridinyl)-4-methylpentan-2-one;1-(4-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(5-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(6-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(6-methoxy-3-pyridinyl)-4-methylpentan-2-one;N-methyl-6-(4-methyl-2-oxopentyl)pyridine-2-carboxamide;2-(4-methyl-2-oxopentyl)pyridine-4-carbonitrile;N-[[6-(4-methyl-2-oxopentyl)-3-pyridinyl]methyl]formamide has a molecular weight of 2526.28 g/mol, XLogP of 26.51, 59 rotatable bonds, 2 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-isocyano-2-pyridinyl)-4-methylpentan-2-one;1-(6-isocyano-2-pyridinyl)-4-methylpentan-2-one;1-(2-methoxy-4-pyridinyl)-4-methylpentan-2-one;1-(3-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(3-methoxy-4-pyridinyl)-4-methylpentan-2-one;1-(4-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(5-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(6-methoxy-2-pyridinyl)-4-methylpentan-2-one;1-(6-methoxy-3-pyridinyl)-4-methylpentan-2-one;N-methyl-6-(4-methyl-2-oxopentyl)pyridine-2-carboxamide;2-(4-methyl-2-oxopentyl)pyridine-4-carbonitrile;N-[[6-(4-methyl-2-oxopentyl)-3-pyridinyl]methyl]formamide is sourced from PubChem (CID 158752517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).